Methodology of computer-assisted identification of substances using information retrieval systems

The methodology of substance identification has been analyzed on the basis of a review of publications on computer-assisted qualitative analysis of mixtures using databases and information retrieval systems. A system of terms necessary for the development of an identification theory is proposed. The system is not oriented to any particular method. The most important aspects of the study seem to be calculations of identification criteria based on the probability theory and purposeful selection of more characteristic search attributes.